Assay Detail

CHEMBL5530909

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Binding

Inhibition of recombinant SARS-CoV-2 Wuhan-Hu-1 main protease expressed in Escherichia coli using Dabcyl-KTSAVLQSGFRKME-Edans as substrate incubated for 20 mins by FRET assay

ChEMBL ↗

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Target

Replicase polyprotein 1ab (CHEMBL4523582) ↗

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Replicase polyprotein 1ab (CHEMBL4523582) is the working anchor for this assay review. Loading the live Open DB target snapshot…

Primary target Replicase polyprotein 1ab

CHEMBL4523582

Anchored from Assay target.

Protein identity Replicase polyprotein 1ab

Disease frame Disease evidence pending

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Review focus Open DB context pending

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Total Activities

Compounds Tested

Activity Types

Assay Parameters

Assay Information

Assay Type	Binding
Organism	Severe acute respiratory syndrome coronavirus 2
Confidence	9 — Direct single protein target
Curated By	Autocuration

Target

Replicase polyprotein 1ab (CHEMBL4523582) ↗

Type	SINGLE PROTEIN
Organism	Severe acute respiratory syndrome coronavirus 2

Publication

Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.

Shurtleff VW, Layton ME, Parish CA, Perkins JJ, Schreier JD, Wang Y, Adam GC, Alvarez N, Bahmanjah S, Bahnck-Teets CM, Boyce CW, Burlein C, Cabalu TD, Campbell BT, Carroll SS, Chang W, de Lera Ruiz M, Dolgov E, Fay JF, Fox NG, Goh SL, Hartingh TJ, Hurzy DM, Kelly MJ, Klein DJ, Klingler FM, Krishnamurthy H, Kudalkar S, Mayhood TW, McKenna PM, Murray EM, Nahas D, Nawrat CC, Park S, Qian D, Roecker AJ, Sharma V, Shipe WD, Su J, Taggart RV, Truong Q, Wu Y, Zhou X, Zhuang N, Perlin DS, Olsen DB, Howe JA, McCauley JA.
J Med Chem (2024) 67 : 3935 -3958
PubMed 38365209 · DOI

Activity Statistics

Type	Count	Avg pChEMBL	Best pChEMBL
Ki	1	8.51	8.51

Compounds Tested

Compound	Name	Phase	Activities	Best pChEMBL
CHEMBL4802135	NIRMATRELVIR	4.0	1	8.51

Activity Data

Compound	Name	Type	Rel.	Value	Units	pChEMBL
CHEMBL4802135	NIRMATRELVIR	Ki	=	3.1	nM	8.51